UCSF

ZINC21794449

Substance Information

In ZINC since Heavy atoms Benign functionality
December 9th, 2008 33 Yes

Download: MOL2 SDF SMILES Flexibase

Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 5.10 10.36 -41.28 3 7 1 81 446.575 6
Mid Mid (pH 6-8) 5.10 10.2 -36.88 3 7 1 81 446.575 6
Mid Mid (pH 6-8) 5.10 9.93 -15.76 2 7 0 79 445.567 6

Activity (Go SEA)

Analogs ( Draw Identity 99% 90% 80% 70% )